Reaction Details Report a problem with these data
Target
Triple specificity protein phosphatase PtpB
Ligand
BDBM50604332
Substrate
n/a
Meas. Tech.
ChEMBL_2261839 (CHEMBL5216850)
IC50
2980±n/a nM
Citation
 Cheng, S; Wang, Q; Chen, X; Chen, J; Wang, B; Chen, D; Shen, D; Tian, J; Ye, F; Lu, Y; Huang, H; Lu, Y; Zhang, D Discovery of biphenyls bearing thiobarbiturate fragment by structure-based strategy as Mycobacterium tuberculosis protein tyrosine phosphatase B inhibitors. Bioorg Med Chem 73:0 (2022) [PubMed] 
Target
Name:
Triple specificity protein phosphatase PtpB
Synonyms:
PTPB_MYCTU | Phosphoinositide phosphatase | Protein-serine/threonine phosphatase | Protein-tyrosine phosphatase B | TSP PTP | mptpB | ptpB
Type:
Protein
Mol. Mass.:
30152.45
Organism:
n/a
Description:
I6WXK4
Residue:
276
Sequence:
MAVRELPGAWNFRDVADTATALRPGRLFRSSELSRLDDAGRATLRRLGITDVADLRSSREVARRGPGRVPDGIDVHLLPFPDLADDDADDSAPHETAFKRLLTNDGSNGESGESSQSINDAATRYMTDEYRQFPTRNGAQRALHRVVTLLAAGRPVLTHCFAGKDRTGFVVALVLEAVGLDRDVIVADYLRSNDSVPQLRARISEMIQQRFDTELAPEVVTFTKARLSDGVLGVRAEYLAAARQTIDETYGSLGGYLRDAGISQATVNRMRGVLLG
 
Inhibitor
Name:
BDBM50604332
Synonyms:
CHEMBL4214022
Type:
Small organic molecule
Emp. Form.:
C17H11Cl2NO4
Mol. Mass.:
364.18
SMILES:
Cc1onc(C(O)=O)c1-c1cccc(c1)-c1cc(Cl)c(O)c(Cl)c1
Structure:
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